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碳纳米管在增强VSe电荷存储性能中的作用:来自密度泛函理论模拟的实验和理论见解

The role of carbon nanotubes in enhanced charge storage performance of VSe: experimental and theoretical insight from DFT simulations.

作者信息

K A Sree Raj, Shajahan Afsal S, Chakraborty Brahmananda, Rout Chandra Sekhar

机构信息

Centre for Nano and Material Sciences Jain Global Campus, Jakkasandra, Ramanagaram Bangalore-562112 India

High Pressure and Synchrotron Radiation Physics Division, Bhabha Atomic Research Centre Trombay Mumbai 400085 India.

出版信息

RSC Adv. 2020 Aug 27;10(53):31712-31719. doi: 10.1039/d0ra06773c. eCollection 2020 Aug 26.

Abstract

Herein, we report the hybrid structure of metallic VSe and multi-walled carbon nanotube (MWCNT) based hybrid materials for high performance energy storage and high power operation applications. The dominance of capacitive energy storage performance behaviour of VSe/MWCNT hybrids is observed. A symmetric supercapacitor cell device fabricated using VSe/80 mg MWCNT delivered a high energy density of 46.66 W h kg and a maximum power density of 14.4 kW kg with a stable cyclic operation of 87% after 5000 cycles in an aqueous electrolyte. Using density functional theory calculations we have presented structural and electronic properties of the hybrid VSe/MWCNT structure. Enhanced states near the Fermi level and higher quantum capacitance for the hybrid structure contribute towards higher energy and power density for the nanotube/VSe.

摘要

在此,我们报道了基于金属VSe和多壁碳纳米管(MWCNT)的混合材料的混合结构,用于高性能储能和高功率运行应用。观察到VSe/MWCNT混合材料的电容式储能性能行为占主导地位。使用VSe/80 mg MWCNT制造的对称超级电容器电池装置在水性电解质中5000次循环后,实现了46.66 W h kg的高能量密度和14.4 kW kg的最大功率密度,以及87%的稳定循环运行。通过密度泛函理论计算,我们展示了混合VSe/MWCNT结构的结构和电子性质。混合结构在费米能级附近增强的态和更高的量子电容有助于提高纳米管/VSe的能量和功率密度。

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